ChemSpider 2D Image | 2-{4-[(4-Chlorophenyl)(hydroxy)methyl]phenoxy}-2-(~2~H_3_)methyl(~2~H_3_)propanoic acid | C17H11D6ClO4

2-{4-[(4-Chlorophenyl)(hydroxy)methyl]phenoxy}-2-(2H3)methyl(2H3)propanoic acid

  • Molecular FormulaC17H11D6ClO4
  • Average mass326.805 Da
  • Monoisotopic mass326.119202 Da
  • ChemSpider ID29738765

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{4-[(4-Chlorophenyl)(hydroxy)methyl]phenoxy}-2-(2H3)methyl(2H3)propanoic acid [ACD/IUPAC Name]
2-{4-[(4-Chlorphenyl)(hydroxy)methyl]phenoxy}-2-(2H3)methyl(2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-{4-[(4-chlorophényl)(hydroxy)méthyl]phénoxy}-2-(2H3)méthyl(2H3)propanoïque [French] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, 2-[4-[(4-chlorophenyl)hydroxymethyl]phenoxy]-2-(methyl-d3)- [ACD/Index Name]
1189423-29-7 [RN]
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
Fenofibric acid-d6
MFCD06658651 [MDL number]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SS-4484 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 500.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 81.0±3.0 kJ/mol
    Flash Point: 256.4±30.1 °C
    Index of Refraction: 1.596
    Molar Refractivity: 84.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.16
    ACD/LogD (pH 5.5): 0.94
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.24
    ACD/LogD (pH 7.4): -0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 247.2±3.0 cm3

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